(2R)-2-(4-methoxyphenyl)-2-piperazine-1,4-diium-1-yl-ethanenitrile

Systemtic Name: (2R)-2-(4-methoxyphenyl)-2-piperazine-1,4-diium-1-yl-ethanenitrile Openeye Name: (2R)-2-(4-methoxyphenyl)-2-piperazine-1,4-diium-1-yl-acetonitrile CAS Name: (2R)-2-(4-methoxyphenyl)-2-(1-piperazine-1,4-diiumyl)acetonitrile IUPAC Name: (2R)-2-(4-methoxyphenyl)-2-piperazine-1,4-diium-1-ylacetonitrile Traditional Name: (2R)-2-(4-methoxyphenyl)-2-piperazine-1,4-diium-1-yl-acetonitrile Formula: C13H19N3O+2 MolecularWeight: 233.30946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C#N)[NH+]2CC[NH2+]CC2

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](C#N)[NH+]2CC[NH2+]CC2

InChI

InChI=1S/C13H17N3O/c1-17-12-4-2-11(3-5-12)13(10-14)16-8-6-15-7-9-16/h2-5,13,15H,6-9H2,1H3/p+2/t13-/m0/s1